8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine

C16H11F3N2O2 — CID 629341

IUPAC8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine
SMILESFC(F)(F)COc1ccc2nccc(Oc3ccccc3)c2n1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-22-14-7-6-12-15(21-14)13(8-9-20-12)23-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyVZTUIGFYOCXUBY-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.36
Rot. Bonds4

About 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine

8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine (PubChem CID 629341) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine.

Molecular Properties

Compound Name8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine
PubChem CID629341
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine
SMILESFC(F)(F)COc1ccc2nccc(Oc3ccccc3)c2n1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-22-14-7-6-12-15(21-14)13(8-9-20-12)23-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyVZTUIGFYOCXUBY-UHFFFAOYSA-N
XLogP4.36
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenoxyquinoxaline
CID 3734282
(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine
CID 73333428
2-Methyl-4-(pyridin-2-ylmethoxy)quinolin-8-amine
CID 162651727
2-(4-Methoxyphenoxy)quinoxaline
CID 3586870
2-(7-((3,4-Difluorobenzyl)oxy)-1,5-naphthyridin-3-yl)acetamide
CID 86296849
2-{7-[(4-Fluorophenyl)methoxy]-1,5-naphthyridin-3-yl}propan-2-ol
CID 86301657
(7-((3,4-Difluorobenzyl)oxy)-1,5-naphthyridin-3-yl)methanol
CID 86301659
2-{7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl}acetonitrile
CID 86301660
3-[(4-Fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine
CID 86301815
2-[7-[(3-Fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
CID 86301816
2-[7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
CID 86301817
US20240002380, Example 44
CID 167050271

Frequently Asked Questions

What is the IUPAC name of 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine?
The IUPAC name of 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine (CID 629341) is 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine.
What is the SMILES notation for 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine?
The canonical SMILES for 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine is FC(F)(F)COc1ccc2nccc(Oc3ccccc3)c2n1.
What is the InChIKey of 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine?
The InChIKey is VZTUIGFYOCXUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)10-22-14-7-6-12-15(21-14)13(8-9-20-12)23-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine?
8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine has a molecular weight of 320.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenoxy-2-(2,2,2-trifluoroethoxy)-1,5-naphthyridine is sourced from PubChem (CID 629341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).